4-chloro-2-ethenyl-6-fluorophenol

C8H6ClFO — CID 89379565

IUPAC4-chloro-2-ethenyl-6-fluorophenol
SMILESC=Cc1cc(Cl)cc(F)c1O
InChIInChI=1S/C8H6ClFO/c1-2-5-3-6(9)4-7(10)8(5)11/h2-4,11H,1H2
InChIKeyAXVDDUWMTSLKMP-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.83
Rot. Bonds1

About 4-chloro-2-ethenyl-6-fluorophenol

4-chloro-2-ethenyl-6-fluorophenol (PubChem CID 89379565) has the molecular formula C8H6ClFO and a molecular weight of 172.59 g/mol. Its IUPAC name is 4-chloro-2-ethenyl-6-fluorophenol.

Molecular Properties

Compound Name4-chloro-2-ethenyl-6-fluorophenol
PubChem CID89379565
Molecular FormulaC8H6ClFO
Molecular Weight172.59 g/mol
Exact Mass172.01
IUPAC Name4-chloro-2-ethenyl-6-fluorophenol
SMILESC=Cc1cc(Cl)cc(F)c1O
InChIInChI=1S/C8H6ClFO/c1-2-5-3-6(9)4-7(10)8(5)11/h2-4,11H,1H2
InChIKeyAXVDDUWMTSLKMP-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorophene
CID 8425
Dichlorophen
CID 3037
4-Chloro-2-methylphenol
CID 14855
Dowicide 9
CID 61594
4-Chloro-2-phenylphenol
CID 11827
2-Chloro-6-methylphenol
CID 6898
5-Chloro-2-methylphenol
CID 79192
4-Chloro-2,5-xylenol
CID 70756
5-Chloro-2-hydroxybenzonitrile
CID 2777420
3-Chloro-o-cresol
CID 14856
2,4-Dichloro-6-methylphenol
CID 15292
2,6-Dimethyl-4-chlorophenol
CID 70747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethenyl-6-fluorophenol?
The IUPAC name of 4-chloro-2-ethenyl-6-fluorophenol (CID 89379565) is 4-chloro-2-ethenyl-6-fluorophenol.
What is the SMILES notation for 4-chloro-2-ethenyl-6-fluorophenol?
The canonical SMILES for 4-chloro-2-ethenyl-6-fluorophenol is C=Cc1cc(Cl)cc(F)c1O.
What is the InChIKey of 4-chloro-2-ethenyl-6-fluorophenol?
The InChIKey is AXVDDUWMTSLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO/c1-2-5-3-6(9)4-7(10)8(5)11/h2-4,11H,1H2.
What are the key properties of 4-chloro-2-ethenyl-6-fluorophenol?
4-chloro-2-ethenyl-6-fluorophenol has a molecular weight of 172.59 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethenyl-6-fluorophenol is sourced from PubChem (CID 89379565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).